| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H38N6O4 |
| Molecular Weight | 438.5642 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(=N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC2CCCCC2)NCC(O)=O
InChI
InChIKey=CDPROXZBMHOBTQ-SJORKVTESA-N
InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1
| Molecular Formula | C21H38N6O4 |
| Molecular Weight | 438.5642 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Inogatran is a low molecular weight dipeptide and competitive thrombin inhibitor developed by Aktiebolaget Astra for the potential treatment of arterial and venous thrombotic diseases. lnogatran reversibly binds to the catalytic site of the thrombin molecule, thereby in a stoichiometric fashion inhibiting both clot-bound thrombin. Its biological half-life in plasma is about 1 h and it is evenly eliminated in the urine and bile. lnogatran has shown promising antithrombotic effects in a porcine model of coronary thrombosis. Unfortunately, Inogatran failed to demonstrate superior efficacy and safety to unfractionated heparin as antithrombotic agent and clinical development was discontinued.
